2,6-dimethylnaphthalene-1,3,8-triamine

C12H15N3 — CID 158818668

IUPAC2,6-dimethylnaphthalene-1,3,8-triamine
SMILESCc1cc(N)c2c(N)c(C)c(N)cc2c1
InChIInChI=1S/C12H15N3/c1-6-3-8-5-9(13)7(2)12(15)11(8)10(14)4-6/h3-5H,13-15H2,1-2H3
InChIKeyIVOZLLLXIVZRRE-UHFFFAOYSA-N
MW201.27 g/mol
LogP2.20
Rot. Bonds

About 2,6-dimethylnaphthalene-1,3,8-triamine

2,6-dimethylnaphthalene-1,3,8-triamine (PubChem CID 158818668) has the molecular formula C12H15N3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 2,6-dimethylnaphthalene-1,3,8-triamine.

Molecular Properties

Compound Name2,6-dimethylnaphthalene-1,3,8-triamine
PubChem CID158818668
Molecular FormulaC12H15N3
Molecular Weight201.27 g/mol
Exact Mass201.13
IUPAC Name2,6-dimethylnaphthalene-1,3,8-triamine
SMILESCc1cc(N)c2c(N)c(C)c(N)cc2c1
InChIInChI=1S/C12H15N3/c1-6-3-8-5-9(13)7(2)12(15)11(8)10(14)4-6/h3-5H,13-15H2,1-2H3
InChIKeyIVOZLLLXIVZRRE-UHFFFAOYSA-N
XLogP2.20
TPSA78.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 52.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethylnaphthalene-1,3,8-triamine?
The IUPAC name of 2,6-dimethylnaphthalene-1,3,8-triamine (CID 158818668) is 2,6-dimethylnaphthalene-1,3,8-triamine.
What is the SMILES notation for 2,6-dimethylnaphthalene-1,3,8-triamine?
The canonical SMILES for 2,6-dimethylnaphthalene-1,3,8-triamine is Cc1cc(N)c2c(N)c(C)c(N)cc2c1.
What is the InChIKey of 2,6-dimethylnaphthalene-1,3,8-triamine?
The InChIKey is IVOZLLLXIVZRRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3/c1-6-3-8-5-9(13)7(2)12(15)11(8)10(14)4-6/h3-5H,13-15H2,1-2H3.
What are the key properties of 2,6-dimethylnaphthalene-1,3,8-triamine?
2,6-dimethylnaphthalene-1,3,8-triamine has a molecular weight of 201.27 g/mol, XLogP of 2.20, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethylnaphthalene-1,3,8-triamine is sourced from PubChem (CID 158818668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).